4-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]carbonyl-N-(2-cyanoethyl)benzenesulfonamide

Systemtic Name: 4-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]carbonyl-N-(2-cyanoethyl)benzenesulfonamide Openeye Name: 4-[4-(5-chloro-2-fluoro-benzoyl)piperazine-1-carbonyl]-N-(2-cyanoethyl)benzenesulfonamide CAS Name: 4-[[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-N-(2-cyanoethyl)benzenesulfonamide IUPAC Name: 4-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N-(2-cyanoethyl)benzenesulfonamide Traditional Name: 4-[4-(5-chloro-2-fluoro-benzoyl)piperazine-1-carbonyl]-N-(2-cyanoethyl)benzenesulfonamide Formula: C21H20ClFN4O4S MolecularWeight: 478.924303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)C(=O)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)C(=O)C3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C21H20ClFN4O4S/c22-16-4-7-19(23)18(14-16)21(29)27-12-10-26(11-13-27)20(28)15-2-5-17(6-3-15)32(30,31)25-9-1-8-24/h2-7,14,25H,1,9-13H2